5-amino-N-(4-fluoro-3-methylphenyl)-1H-indole-3-carboxamide

C16H14FN3O — CID 63117335

IUPAC5-amino-N-(4-fluoro-3-methylphenyl)-1H-indole-3-carboxamide
SMILESCc1cc(NC(=O)c2c[nH]c3ccc(N)cc23)ccc1F
InChIInChI=1S/C16H14FN3O/c1-9-6-11(3-4-14(9)17)20-16(21)13-8-19-15-5-2-10(18)7-12(13)15/h2-8,19H,18H2,1H3,(H,20,21)
InChIKeyVZBQRVPWWWOCPG-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.45
Rot. Bonds2

About 5-amino-N-(4-fluoro-3-methylphenyl)-1H-indole-3-carboxamide

5-amino-N-(4-fluoro-3-methylphenyl)-1H-indole-3-carboxamide (PubChem CID 63117335) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 5-amino-N-(4-fluoro-3-methylphenyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-fluoro-3-methylphenyl)-1H-indole-3-carboxamide
PubChem CID63117335
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name5-amino-N-(4-fluoro-3-methylphenyl)-1H-indole-3-carboxamide
SMILESCc1cc(NC(=O)c2c[nH]c3ccc(N)cc23)ccc1F
InChIInChI=1S/C16H14FN3O/c1-9-6-11(3-4-14(9)17)20-16(21)13-8-19-15-5-2-10(18)7-12(13)15/h2-8,19H,18H2,1H3,(H,20,21)
InChIKeyVZBQRVPWWWOCPG-UHFFFAOYSA-N
XLogP3.45
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(3-hydroxy-4-methylphenyl)-1H-indole-3-carboxamide
CID 107699365
5-amino-N-phenyl-1H-indole-3-carboxamide
CID 63116510
5-amino-N-(3-hydroxyphenyl)-1H-indole-3-carboxamide
CID 63116812
N-(4-bromo-3-methylphenyl)-5-chloro-1H-indole-3-carboxamide
CID 113205923
N-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162838
5-amino-N-(2-methylsulfanylphenyl)-1H-indole-3-carboxamide
CID 63116828
5-amino-N-(4-fluoro-3-methylphenyl)-2-nitrobenzamide
CID 62811596
N-(3,4-dimethylphenyl)-1H-indole-3-carboxamide
CID 43399217
5-amino-N-pyrimidin-2-yl-1H-indole-3-carboxamide
CID 63117023
5-amino-N-(2,5-dimethylpyrazol-3-yl)-1H-indole-3-carboxamide
CID 63116359
N-(4-chloro-2-methylphenyl)-5-fluoro-1H-indole-3-carboxamide
CID 113205698
5-amino-N-(2-bromo-4-methylphenyl)-1H-indole-3-carboxamide
CID 63116424

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-fluoro-3-methylphenyl)-1H-indole-3-carboxamide?
The IUPAC name of 5-amino-N-(4-fluoro-3-methylphenyl)-1H-indole-3-carboxamide (CID 63117335) is 5-amino-N-(4-fluoro-3-methylphenyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 5-amino-N-(4-fluoro-3-methylphenyl)-1H-indole-3-carboxamide?
The canonical SMILES for 5-amino-N-(4-fluoro-3-methylphenyl)-1H-indole-3-carboxamide is Cc1cc(NC(=O)c2c[nH]c3ccc(N)cc23)ccc1F.
What is the InChIKey of 5-amino-N-(4-fluoro-3-methylphenyl)-1H-indole-3-carboxamide?
The InChIKey is VZBQRVPWWWOCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-9-6-11(3-4-14(9)17)20-16(21)13-8-19-15-5-2-10(18)7-12(13)15/h2-8,19H,18H2,1H3,(H,20,21).
What are the key properties of 5-amino-N-(4-fluoro-3-methylphenyl)-1H-indole-3-carboxamide?
5-amino-N-(4-fluoro-3-methylphenyl)-1H-indole-3-carboxamide has a molecular weight of 283.31 g/mol, XLogP of 3.45, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-fluoro-3-methylphenyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 63117335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).